USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot -95:sc= 0.984 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 CYS SG : rot -154:sc= 0.851 USER MOD Set 2.2: A 43 CYS SG : rot -94:sc= -1.05 USER MOD Set 2.3: A 70 CYS SG : rot -86:sc= 1.05 USER MOD Set 2.4: A 73 CYS SG : rot -24:sc= -0.699! USER MOD Set 3.1: A 24 CYS SG : rot -141:sc= -0.914 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -1.14 USER MOD Set 3.3: A 29 CYS SG : rot -100:sc= -1.02! USER MOD Set 3.4: A 48 CYS SG : rot -148:sc= 1.25 USER MOD Set 3.5: A 51 CYS SG : rot 101:sc= 1.49 USER MOD Set 4.1: A 16 GLN : amide:sc= -3! C(o=-4.3!,f=-3.9!) USER MOD Set 4.2: A 25 ASN : amide:sc= -1.28! X(o=-4.3!,f=-3.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 76:sc= 0.813 USER MOD Single : A 6 MET CE :methyl -144:sc= -0.0812 (180deg=-0.586) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 137:sc= 0.67 (180deg=-0.272) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.31) USER MOD Single : A 39 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-2.2!) USER MOD Single : A 42 ASN : amide:sc= -22.2! C(o=-22!,f=-26!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -54:sc= 1.26 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 128:sc= -2.1! USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.213 5.790 -9.944 1.00 0.00 N ATOM 2 CA GLY A 1 -18.963 6.394 -10.478 1.00 0.00 C ATOM 3 C GLY A 1 -17.750 5.519 -10.224 1.00 0.00 C ATOM 4 O GLY A 1 -17.819 4.301 -10.382 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.015 6.422 -10.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.377 4.870 -10.401 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.122 5.655 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.071 6.560 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.808 7.370 -10.018 1.00 0.00 H new ATOM 10 N PRO A 2 -16.616 6.116 -9.822 1.00 0.00 N ATOM 11 CA PRO A 2 -15.388 5.366 -9.542 1.00 0.00 C ATOM 12 C PRO A 2 -15.583 4.341 -8.429 1.00 0.00 C ATOM 13 O PRO A 2 -16.307 4.588 -7.465 1.00 0.00 O ATOM 14 CB PRO A 2 -14.389 6.447 -9.110 1.00 0.00 C ATOM 15 CG PRO A 2 -15.226 7.621 -8.727 1.00 0.00 C ATOM 16 CD PRO A 2 -16.445 7.559 -9.601 1.00 0.00 C ATOM 0 HA PRO A 2 -15.056 4.792 -10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.779 6.108 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.705 6.698 -9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.499 7.579 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.683 8.554 -8.879 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.315 7.999 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.299 8.097 -10.538 1.00 0.00 H new ATOM 24 N LEU A 3 -14.937 3.188 -8.566 1.00 0.00 N ATOM 25 CA LEU A 3 -15.046 2.129 -7.569 1.00 0.00 C ATOM 26 C LEU A 3 -14.141 2.414 -6.375 1.00 0.00 C ATOM 27 O LEU A 3 -13.035 2.934 -6.530 1.00 0.00 O ATOM 28 CB LEU A 3 -14.681 0.779 -8.187 1.00 0.00 C ATOM 29 CG LEU A 3 -15.493 0.390 -9.423 1.00 0.00 C ATOM 30 CD1 LEU A 3 -15.018 -0.946 -9.970 1.00 0.00 C ATOM 31 CD2 LEU A 3 -16.977 0.330 -9.088 1.00 0.00 C ATOM 0 H LEU A 3 -14.333 2.963 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.079 2.095 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.625 0.794 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.807 0.005 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.343 1.151 -10.189 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.606 -1.209 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.966 -0.873 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.141 -1.716 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.540 0.052 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.144 -0.412 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.311 1.307 -8.738 1.00 0.00 H new ATOM 43 N GLY A 4 -14.618 2.073 -5.184 1.00 0.00 N ATOM 44 CA GLY A 4 -13.841 2.301 -3.983 1.00 0.00 C ATOM 45 C GLY A 4 -13.988 3.717 -3.459 1.00 0.00 C ATOM 46 O GLY A 4 -13.223 4.149 -2.597 1.00 0.00 O ATOM 0 H GLY A 4 -15.530 1.642 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.154 1.597 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.790 2.100 -4.190 1.00 0.00 H new ATOM 50 N SER A 5 -14.973 4.441 -3.981 1.00 0.00 N ATOM 51 CA SER A 5 -15.220 5.816 -3.562 1.00 0.00 C ATOM 52 C SER A 5 -15.527 5.886 -2.070 1.00 0.00 C ATOM 53 O SER A 5 -15.139 6.836 -1.392 1.00 0.00 O ATOM 54 CB SER A 5 -16.379 6.414 -4.362 1.00 0.00 C ATOM 55 OG SER A 5 -16.108 6.375 -5.752 1.00 0.00 O ATOM 0 H SER A 5 -15.614 4.098 -4.696 1.00 0.00 H new ATOM 0 HA SER A 5 -14.317 6.395 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.295 5.862 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.548 7.444 -4.049 1.00 0.00 H new ATOM 0 HG SER A 5 -16.233 5.461 -6.084 1.00 0.00 H new ATOM 61 N MET A 6 -16.227 4.876 -1.566 1.00 0.00 N ATOM 62 CA MET A 6 -16.585 4.828 -0.153 1.00 0.00 C ATOM 63 C MET A 6 -16.172 3.500 0.472 1.00 0.00 C ATOM 64 O MET A 6 -16.104 2.474 -0.205 1.00 0.00 O ATOM 65 CB MET A 6 -18.090 5.039 0.018 1.00 0.00 C ATOM 66 CG MET A 6 -18.567 6.409 -0.435 1.00 0.00 C ATOM 67 SD MET A 6 -20.304 6.698 -0.055 1.00 0.00 S ATOM 68 CE MET A 6 -21.077 5.353 -0.952 1.00 0.00 C ATOM 0 H MET A 6 -16.557 4.081 -2.113 1.00 0.00 H new ATOM 0 HA MET A 6 -16.050 5.628 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.622 4.273 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 6 -18.351 4.901 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 6 -17.961 7.178 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.413 6.506 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 6 -22.029 5.689 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 6 -20.424 5.034 -1.764 1.00 0.00 H new ATOM 0 HE3 MET A 6 -21.249 4.516 -0.275 1.00 0.00 H new ATOM 78 N GLY A 7 -15.900 3.530 1.771 1.00 0.00 N ATOM 79 CA GLY A 7 -15.499 2.325 2.473 1.00 0.00 C ATOM 80 C GLY A 7 -14.001 2.102 2.444 1.00 0.00 C ATOM 81 O GLY A 7 -13.275 2.792 1.726 1.00 0.00 O ATOM 0 H GLY A 7 -15.950 4.367 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.833 2.385 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.999 1.466 2.026 1.00 0.00 H new ATOM 85 N GLU A 8 -13.538 1.135 3.226 1.00 0.00 N ATOM 86 CA GLU A 8 -12.117 0.818 3.292 1.00 0.00 C ATOM 87 C GLU A 8 -11.752 -0.286 2.307 1.00 0.00 C ATOM 88 O GLU A 8 -10.662 -0.854 2.377 1.00 0.00 O ATOM 89 CB GLU A 8 -11.731 0.407 4.714 1.00 0.00 C ATOM 90 CG GLU A 8 -12.012 1.485 5.751 1.00 0.00 C ATOM 91 CD GLU A 8 -11.552 1.093 7.140 1.00 0.00 C ATOM 92 OE1 GLU A 8 -11.183 -0.084 7.336 1.00 0.00 O ATOM 93 OE2 GLU A 8 -11.564 1.963 8.037 1.00 0.00 O ATOM 0 H GLU A 8 -14.127 0.556 3.824 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.559 1.713 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.276 -0.497 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.670 0.158 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.513 2.408 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.082 1.693 5.772 1.00 0.00 H new ATOM 100 N LYS A 9 -12.656 -0.570 1.371 1.00 0.00 N ATOM 101 CA LYS A 9 -12.402 -1.589 0.360 1.00 0.00 C ATOM 102 C LYS A 9 -11.345 -1.088 -0.619 1.00 0.00 C ATOM 103 O LYS A 9 -10.900 -1.816 -1.505 1.00 0.00 O ATOM 104 CB LYS A 9 -13.691 -1.940 -0.389 1.00 0.00 C ATOM 105 CG LYS A 9 -14.768 -2.540 0.500 1.00 0.00 C ATOM 106 CD LYS A 9 -15.940 -3.061 -0.315 1.00 0.00 C ATOM 107 CE LYS A 9 -16.689 -1.931 -1.004 1.00 0.00 C ATOM 108 NZ LYS A 9 -17.962 -2.400 -1.619 1.00 0.00 N ATOM 0 H LYS A 9 -13.564 -0.111 1.293 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.038 -2.490 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.083 -1.040 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.457 -2.644 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.343 -3.353 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.120 -1.787 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.579 -3.768 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.623 -3.607 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.904 -1.144 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.055 -1.492 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.441 -1.599 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.756 -3.133 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.579 -2.796 -0.881 1.00 0.00 H new ATOM 122 N GLN A 10 -10.946 0.168 -0.432 1.00 0.00 N ATOM 123 CA GLN A 10 -9.937 0.802 -1.265 1.00 0.00 C ATOM 124 C GLN A 10 -8.582 0.125 -1.098 1.00 0.00 C ATOM 125 O GLN A 10 -8.220 -0.300 0.000 1.00 0.00 O ATOM 126 CB GLN A 10 -9.833 2.280 -0.886 1.00 0.00 C ATOM 127 CG GLN A 10 -8.679 3.007 -1.554 1.00 0.00 C ATOM 128 CD GLN A 10 -8.544 4.439 -1.075 1.00 0.00 C ATOM 129 OE1 GLN A 10 -9.310 4.897 -0.226 1.00 0.00 O ATOM 130 NE2 GLN A 10 -7.570 5.157 -1.621 1.00 0.00 N ATOM 0 H GLN A 10 -11.315 0.772 0.302 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.233 0.705 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.765 2.779 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.723 2.361 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.751 2.471 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.825 3.000 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.958 4.738 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.433 6.128 -1.340 1.00 0.00 H new ATOM 139 N SER A 11 -7.834 0.033 -2.191 1.00 0.00 N ATOM 140 CA SER A 11 -6.515 -0.586 -2.167 1.00 0.00 C ATOM 141 C SER A 11 -5.449 0.406 -2.620 1.00 0.00 C ATOM 142 O SER A 11 -5.717 1.290 -3.433 1.00 0.00 O ATOM 143 CB SER A 11 -6.487 -1.826 -3.063 1.00 0.00 C ATOM 144 OG SER A 11 -7.470 -2.767 -2.665 1.00 0.00 O ATOM 0 H SER A 11 -8.119 0.380 -3.107 1.00 0.00 H new ATOM 0 HA SER A 11 -6.301 -0.888 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.658 -1.533 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.500 -2.287 -3.020 1.00 0.00 H new ATOM 0 HG SER A 11 -7.432 -3.549 -3.255 1.00 0.00 H new ATOM 150 N LYS A 12 -4.240 0.254 -2.088 1.00 0.00 N ATOM 151 CA LYS A 12 -3.136 1.141 -2.439 1.00 0.00 C ATOM 152 C LYS A 12 -2.050 0.390 -3.203 1.00 0.00 C ATOM 153 O LYS A 12 -1.790 -0.784 -2.938 1.00 0.00 O ATOM 154 CB LYS A 12 -2.548 1.774 -1.177 1.00 0.00 C ATOM 155 CG LYS A 12 -3.527 2.672 -0.439 1.00 0.00 C ATOM 156 CD LYS A 12 -2.869 3.362 0.745 1.00 0.00 C ATOM 157 CE LYS A 12 -3.877 4.169 1.549 1.00 0.00 C ATOM 158 NZ LYS A 12 -3.324 4.602 2.862 1.00 0.00 N ATOM 0 H LYS A 12 -4.000 -0.473 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.525 1.927 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.214 0.984 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.667 2.355 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.922 3.422 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.374 2.080 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.402 2.617 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.075 4.019 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.179 5.046 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.773 3.570 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.588 5.592 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.709 3.999 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.288 4.518 2.847 1.00 0.00 H new ATOM 172 N GLY A 13 -1.420 1.075 -4.150 1.00 0.00 N ATOM 173 CA GLY A 13 -0.367 0.459 -4.938 1.00 0.00 C ATOM 174 C GLY A 13 -0.909 -0.325 -6.116 1.00 0.00 C ATOM 175 O GLY A 13 -2.041 -0.807 -6.081 1.00 0.00 O ATOM 0 H GLY A 13 -1.619 2.047 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.311 1.232 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.218 -0.205 -4.302 1.00 0.00 H new ATOM 179 N TYR A 14 -0.099 -0.453 -7.163 1.00 0.00 N ATOM 180 CA TYR A 14 -0.508 -1.187 -8.356 1.00 0.00 C ATOM 181 C TYR A 14 -0.386 -2.691 -8.138 1.00 0.00 C ATOM 182 O TYR A 14 0.693 -3.195 -7.834 1.00 0.00 O ATOM 183 CB TYR A 14 0.341 -0.765 -9.554 1.00 0.00 C ATOM 184 CG TYR A 14 -0.066 -1.431 -10.848 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.077 -0.899 -11.639 1.00 0.00 C ATOM 186 CD2 TYR A 14 0.562 -2.591 -11.280 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.451 -1.506 -12.824 1.00 0.00 C ATOM 188 CE2 TYR A 14 0.195 -3.205 -12.462 1.00 0.00 C ATOM 189 CZ TYR A 14 -0.811 -2.659 -13.230 1.00 0.00 C ATOM 190 OH TYR A 14 -1.178 -3.266 -14.409 1.00 0.00 O ATOM 0 H TYR A 14 0.841 -0.060 -7.210 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.553 -0.951 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.273 0.316 -9.674 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.386 -0.998 -9.348 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.579 0.004 -11.323 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.351 -3.021 -10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.239 -1.080 -13.428 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.694 -4.108 -12.782 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.629 -4.066 -14.550 1.00 0.00 H new ATOM 200 N TRP A 15 -1.497 -3.398 -8.303 1.00 0.00 N ATOM 201 CA TRP A 15 -1.516 -4.851 -8.131 1.00 0.00 C ATOM 202 C TRP A 15 -1.311 -5.560 -9.467 1.00 0.00 C ATOM 203 O TRP A 15 -2.121 -5.418 -10.385 1.00 0.00 O ATOM 204 CB TRP A 15 -2.840 -5.298 -7.510 1.00 0.00 C ATOM 205 CG TRP A 15 -3.992 -5.255 -8.470 1.00 0.00 C ATOM 206 CD1 TRP A 15 -4.426 -6.268 -9.276 1.00 0.00 C ATOM 207 CD2 TRP A 15 -4.858 -4.142 -8.724 1.00 0.00 C ATOM 208 NE1 TRP A 15 -5.507 -5.854 -10.016 1.00 0.00 N ATOM 209 CE2 TRP A 15 -5.793 -4.553 -9.695 1.00 0.00 C ATOM 210 CE3 TRP A 15 -4.935 -2.839 -8.225 1.00 0.00 C ATOM 211 CZ2 TRP A 15 -6.789 -3.707 -10.173 1.00 0.00 C ATOM 212 CZ3 TRP A 15 -5.924 -2.001 -8.702 1.00 0.00 C ATOM 213 CH2 TRP A 15 -6.840 -2.438 -9.667 1.00 0.00 C ATOM 0 H TRP A 15 -2.398 -2.992 -8.556 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.698 -5.120 -7.463 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.730 -6.314 -7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.065 -4.661 -6.655 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.984 -7.252 -9.325 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.014 -6.423 -10.694 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.234 -2.493 -7.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.497 -4.041 -10.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.992 -0.991 -8.324 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.602 -1.759 -10.019 1.00 0.00 H new ATOM 224 N GLN A 16 -0.238 -6.341 -9.561 1.00 0.00 N ATOM 225 CA GLN A 16 0.062 -7.097 -10.775 1.00 0.00 C ATOM 226 C GLN A 16 -0.727 -8.405 -10.787 1.00 0.00 C ATOM 227 O GLN A 16 -0.780 -9.127 -9.790 1.00 0.00 O ATOM 228 CB GLN A 16 1.565 -7.370 -10.874 1.00 0.00 C ATOM 229 CG GLN A 16 1.983 -8.055 -12.163 1.00 0.00 C ATOM 230 CD GLN A 16 3.479 -8.297 -12.227 1.00 0.00 C ATOM 231 OE1 GLN A 16 4.233 -7.806 -11.387 1.00 0.00 O ATOM 232 NE2 GLN A 16 3.917 -9.057 -13.224 1.00 0.00 N ATOM 0 H GLN A 16 0.440 -6.467 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.235 -6.506 -11.641 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.102 -6.426 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.868 -7.990 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.459 -9.007 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.680 -7.443 -13.012 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.257 -9.444 -13.898 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.914 -9.254 -13.315 1.00 0.00 H new ATOM 241 N GLU A 17 -1.369 -8.674 -11.922 1.00 0.00 N ATOM 242 CA GLU A 17 -2.205 -9.862 -12.092 1.00 0.00 C ATOM 243 C GLU A 17 -1.439 -11.167 -11.899 1.00 0.00 C ATOM 244 O GLU A 17 -0.227 -11.235 -12.103 1.00 0.00 O ATOM 245 CB GLU A 17 -2.860 -9.860 -13.475 1.00 0.00 C ATOM 246 CG GLU A 17 -3.781 -8.677 -13.714 1.00 0.00 C ATOM 247 CD GLU A 17 -4.502 -8.761 -15.046 1.00 0.00 C ATOM 248 OE1 GLU A 17 -4.153 -9.647 -15.854 1.00 0.00 O ATOM 249 OE2 GLU A 17 -5.414 -7.941 -15.279 1.00 0.00 O ATOM 0 H GLU A 17 -1.325 -8.077 -12.748 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.966 -9.813 -11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.080 -9.861 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.428 -10.782 -13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.515 -8.624 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.200 -7.755 -13.676 1.00 0.00 H new ATOM 256 N ASP A 18 -2.182 -12.200 -11.514 1.00 0.00 N ATOM 257 CA ASP A 18 -1.630 -13.532 -11.295 1.00 0.00 C ATOM 258 C ASP A 18 -0.879 -14.031 -12.527 1.00 0.00 C ATOM 259 O ASP A 18 0.220 -14.576 -12.420 1.00 0.00 O ATOM 260 CB ASP A 18 -2.772 -14.504 -10.990 1.00 0.00 C ATOM 261 CG ASP A 18 -3.558 -14.102 -9.759 1.00 0.00 C ATOM 262 OD1 ASP A 18 -3.287 -13.011 -9.213 1.00 0.00 O ATOM 263 OD2 ASP A 18 -4.453 -14.869 -9.348 1.00 0.00 O ATOM 0 H ASP A 18 -3.186 -12.137 -11.345 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.932 -13.478 -10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.444 -14.552 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.365 -15.505 -10.847 1.00 0.00 H new ATOM 268 N GLU A 19 -1.500 -13.868 -13.688 1.00 0.00 N ATOM 269 CA GLU A 19 -0.921 -14.328 -14.948 1.00 0.00 C ATOM 270 C GLU A 19 0.337 -13.559 -15.335 1.00 0.00 C ATOM 271 O GLU A 19 1.305 -14.146 -15.820 1.00 0.00 O ATOM 272 CB GLU A 19 -1.954 -14.211 -16.069 1.00 0.00 C ATOM 273 CG GLU A 19 -3.121 -15.177 -15.933 1.00 0.00 C ATOM 274 CD GLU A 19 -4.111 -15.058 -17.077 1.00 0.00 C ATOM 275 OE1 GLU A 19 -4.015 -14.080 -17.846 1.00 0.00 O ATOM 276 OE2 GLU A 19 -4.985 -15.942 -17.200 1.00 0.00 O ATOM 0 H GLU A 19 -2.410 -13.418 -13.785 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.634 -15.370 -14.803 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.339 -13.192 -16.090 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.460 -14.385 -17.025 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.741 -16.198 -15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.636 -14.990 -14.991 1.00 0.00 H new ATOM 283 N ASP A 20 0.323 -12.251 -15.129 1.00 0.00 N ATOM 284 CA ASP A 20 1.473 -11.423 -15.473 1.00 0.00 C ATOM 285 C ASP A 20 2.684 -11.765 -14.608 1.00 0.00 C ATOM 286 O ASP A 20 3.827 -11.677 -15.056 1.00 0.00 O ATOM 287 CB ASP A 20 1.128 -9.938 -15.339 1.00 0.00 C ATOM 288 CG ASP A 20 0.092 -9.491 -16.353 1.00 0.00 C ATOM 289 OD1 ASP A 20 -0.114 -10.215 -17.349 1.00 0.00 O ATOM 290 OD2 ASP A 20 -0.508 -8.415 -16.153 1.00 0.00 O ATOM 0 H ASP A 20 -0.465 -11.741 -14.729 1.00 0.00 H new ATOM 0 HA ASP A 20 1.731 -11.631 -16.511 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.755 -9.744 -14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.034 -9.345 -15.463 1.00 0.00 H new ATOM 295 N ALA A 21 2.418 -12.156 -13.364 1.00 0.00 N ATOM 296 CA ALA A 21 3.480 -12.516 -12.427 1.00 0.00 C ATOM 297 C ALA A 21 3.407 -13.994 -12.038 1.00 0.00 C ATOM 298 O ALA A 21 2.974 -14.337 -10.939 1.00 0.00 O ATOM 299 CB ALA A 21 3.403 -11.641 -11.185 1.00 0.00 C ATOM 0 H ALA A 21 1.476 -12.232 -12.981 1.00 0.00 H new ATOM 0 HA ALA A 21 4.435 -12.349 -12.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.199 -11.919 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.518 -10.595 -11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.437 -11.782 -10.700 1.00 0.00 H new ATOM 305 N PRO A 22 3.834 -14.892 -12.946 1.00 0.00 N ATOM 306 CA PRO A 22 3.823 -16.342 -12.711 1.00 0.00 C ATOM 307 C PRO A 22 4.857 -16.788 -11.684 1.00 0.00 C ATOM 308 O PRO A 22 4.820 -17.917 -11.197 1.00 0.00 O ATOM 309 CB PRO A 22 4.172 -16.941 -14.080 1.00 0.00 C ATOM 310 CG PRO A 22 4.068 -15.816 -15.053 1.00 0.00 C ATOM 311 CD PRO A 22 4.362 -14.568 -14.274 1.00 0.00 C ATOM 0 HA PRO A 22 2.860 -16.662 -12.312 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.176 -17.364 -14.077 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.487 -17.748 -14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.777 -15.941 -15.872 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.073 -15.774 -15.496 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.430 -14.350 -14.244 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.870 -13.696 -14.704 1.00 0.00 H new ATOM 319 N ALA A 23 5.770 -15.889 -11.359 1.00 0.00 N ATOM 320 CA ALA A 23 6.815 -16.183 -10.384 1.00 0.00 C ATOM 321 C ALA A 23 7.013 -15.005 -9.439 1.00 0.00 C ATOM 322 O ALA A 23 6.616 -13.880 -9.747 1.00 0.00 O ATOM 323 CB ALA A 23 8.119 -16.531 -11.084 1.00 0.00 C ATOM 0 H ALA A 23 5.812 -14.949 -11.754 1.00 0.00 H new ATOM 0 HA ALA A 23 6.501 -17.046 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.885 -16.747 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.970 -17.407 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.438 -15.689 -11.699 1.00 0.00 H new ATOM 329 N CYS A 24 7.605 -15.266 -8.278 1.00 0.00 N ATOM 330 CA CYS A 24 7.830 -14.231 -7.276 1.00 0.00 C ATOM 331 C CYS A 24 8.763 -13.136 -7.783 1.00 0.00 C ATOM 332 O CYS A 24 9.861 -13.407 -8.271 1.00 0.00 O ATOM 333 CB CYS A 24 8.405 -14.847 -6.002 1.00 0.00 C ATOM 334 SG CYS A 24 8.148 -13.841 -4.527 1.00 0.00 S ATOM 0 H CYS A 24 7.939 -16.191 -8.007 1.00 0.00 H new ATOM 0 HA CYS A 24 6.864 -13.773 -7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.952 -15.826 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.474 -15.009 -6.138 1.00 0.00 H new ATOM 0 HG CYS A 24 9.209 -13.891 -3.777 1.00 0.00 H new ATOM 340 N ASN A 25 8.311 -11.898 -7.637 1.00 0.00 N ATOM 341 CA ASN A 25 9.080 -10.730 -8.045 1.00 0.00 C ATOM 342 C ASN A 25 10.300 -10.527 -7.148 1.00 0.00 C ATOM 343 O ASN A 25 11.272 -9.887 -7.549 1.00 0.00 O ATOM 344 CB ASN A 25 8.196 -9.484 -8.004 1.00 0.00 C ATOM 345 CG ASN A 25 7.087 -9.527 -9.035 1.00 0.00 C ATOM 346 OD1 ASN A 25 7.323 -9.336 -10.228 1.00 0.00 O ATOM 347 ND2 ASN A 25 5.867 -9.785 -8.580 1.00 0.00 N ATOM 0 H ASN A 25 7.402 -11.675 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 25 9.431 -10.897 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.760 -9.384 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.811 -8.600 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.080 -9.831 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.716 -9.937 -7.583 1.00 0.00 H new ATOM 354 N GLY A 26 10.231 -11.035 -5.921 1.00 0.00 N ATOM 355 CA GLY A 26 11.324 -10.851 -4.981 1.00 0.00 C ATOM 356 C GLY A 26 12.441 -11.875 -5.092 1.00 0.00 C ATOM 357 O GLY A 26 13.600 -11.506 -5.281 1.00 0.00 O ATOM 0 H GLY A 26 9.440 -11.569 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.746 -9.857 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.922 -10.881 -3.968 1.00 0.00 H new ATOM 361 N CYS A 27 12.113 -13.156 -4.944 1.00 0.00 N ATOM 362 CA CYS A 27 13.133 -14.202 -4.999 1.00 0.00 C ATOM 363 C CYS A 27 13.093 -14.998 -6.301 1.00 0.00 C ATOM 364 O CYS A 27 13.906 -15.898 -6.508 1.00 0.00 O ATOM 365 CB CYS A 27 12.991 -15.146 -3.803 1.00 0.00 C ATOM 366 SG CYS A 27 11.521 -16.197 -3.854 1.00 0.00 S ATOM 0 H CYS A 27 11.163 -13.493 -4.787 1.00 0.00 H new ATOM 0 HA CYS A 27 14.100 -13.701 -4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.875 -15.781 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.968 -14.554 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 27 11.495 -16.958 -2.800 1.00 0.00 H new ATOM 372 N GLY A 28 12.166 -14.657 -7.186 1.00 0.00 N ATOM 373 CA GLY A 28 12.081 -15.350 -8.459 1.00 0.00 C ATOM 374 C GLY A 28 11.470 -16.735 -8.352 1.00 0.00 C ATOM 375 O GLY A 28 11.399 -17.457 -9.347 1.00 0.00 O ATOM 0 H GLY A 28 11.476 -13.919 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.488 -14.752 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.080 -15.434 -8.886 1.00 0.00 H new ATOM 379 N CYS A 29 11.018 -17.113 -7.160 1.00 0.00 N ATOM 380 CA CYS A 29 10.407 -18.425 -6.980 1.00 0.00 C ATOM 381 C CYS A 29 9.064 -18.471 -7.696 1.00 0.00 C ATOM 382 O CYS A 29 8.347 -17.475 -7.743 1.00 0.00 O ATOM 383 CB CYS A 29 10.236 -18.757 -5.498 1.00 0.00 C ATOM 384 SG CYS A 29 8.854 -17.912 -4.696 1.00 0.00 S ATOM 0 H CYS A 29 11.062 -16.540 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 29 11.069 -19.175 -7.413 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.098 -19.833 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.156 -18.501 -4.973 1.00 0.00 H new ATOM 0 HG CYS A 29 9.299 -16.889 -4.028 1.00 0.00 H new ATOM 390 N VAL A 30 8.738 -19.617 -8.273 1.00 0.00 N ATOM 391 CA VAL A 30 7.486 -19.755 -9.011 1.00 0.00 C ATOM 392 C VAL A 30 6.310 -20.104 -8.112 1.00 0.00 C ATOM 393 O VAL A 30 6.449 -20.850 -7.142 1.00 0.00 O ATOM 394 CB VAL A 30 7.574 -20.814 -10.120 1.00 0.00 C ATOM 395 CG1 VAL A 30 8.471 -21.968 -9.703 1.00 0.00 C ATOM 396 CG2 VAL A 30 6.181 -21.307 -10.480 1.00 0.00 C ATOM 0 H VAL A 30 9.314 -20.458 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 30 7.318 -18.775 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 30 8.019 -20.356 -11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.515 -22.703 -10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.474 -21.594 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.068 -22.436 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.253 -22.058 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.712 -21.748 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.578 -20.470 -10.831 1.00 0.00 H new ATOM 406 N PHE A 31 5.151 -19.565 -8.455 1.00 0.00 N ATOM 407 CA PHE A 31 3.934 -19.822 -7.695 1.00 0.00 C ATOM 408 C PHE A 31 3.297 -21.132 -8.143 1.00 0.00 C ATOM 409 O PHE A 31 3.149 -21.397 -9.336 1.00 0.00 O ATOM 410 CB PHE A 31 2.943 -18.670 -7.863 1.00 0.00 C ATOM 411 CG PHE A 31 3.488 -17.350 -7.408 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.548 -17.042 -6.060 1.00 0.00 C ATOM 413 CD2 PHE A 31 3.950 -16.421 -8.328 1.00 0.00 C ATOM 414 CE1 PHE A 31 4.057 -15.830 -5.636 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.462 -15.209 -7.908 1.00 0.00 C ATOM 416 CZ PHE A 31 4.516 -14.913 -6.560 1.00 0.00 C ATOM 0 H PHE A 31 5.025 -18.946 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 31 4.198 -19.902 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.657 -18.595 -8.912 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.036 -18.894 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.193 -17.757 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.909 -16.647 -9.383 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.096 -15.600 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.820 -14.493 -8.633 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.917 -13.966 -6.230 1.00 0.00 H new ATOM 426 N THR A 32 2.929 -21.942 -7.160 1.00 0.00 N ATOM 427 CA THR A 32 2.306 -23.236 -7.411 1.00 0.00 C ATOM 428 C THR A 32 0.971 -23.348 -6.683 1.00 0.00 C ATOM 429 O THR A 32 0.644 -22.519 -5.834 1.00 0.00 O ATOM 430 CB THR A 32 3.235 -24.370 -6.975 1.00 0.00 C ATOM 431 OG1 THR A 32 3.331 -24.428 -5.563 1.00 0.00 O ATOM 432 CG2 THR A 32 4.637 -24.236 -7.528 1.00 0.00 C ATOM 0 H THR A 32 3.052 -21.723 -6.171 1.00 0.00 H new ATOM 0 HA THR A 32 2.124 -23.319 -8.482 1.00 0.00 H new ATOM 0 HB THR A 32 2.788 -25.281 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.928 -25.161 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.246 -25.071 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.600 -24.240 -8.617 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.076 -23.300 -7.184 1.00 0.00 H new ATOM 440 N THR A 33 0.206 -24.380 -7.020 1.00 0.00 N ATOM 441 CA THR A 33 -1.093 -24.600 -6.398 1.00 0.00 C ATOM 442 C THR A 33 -1.006 -24.496 -4.878 1.00 0.00 C ATOM 443 O THR A 33 -1.857 -23.868 -4.247 1.00 0.00 O ATOM 444 CB THR A 33 -1.640 -25.974 -6.791 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.700 -26.108 -8.201 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.025 -26.245 -6.245 1.00 0.00 C ATOM 0 H THR A 33 0.463 -25.076 -7.720 1.00 0.00 H new ATOM 0 HA THR A 33 -1.769 -23.823 -6.755 1.00 0.00 H new ATOM 0 HB THR A 33 -0.947 -26.695 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.051 -26.994 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.353 -27.235 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.002 -26.200 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.719 -25.495 -6.624 1.00 0.00 H new ATOM 454 N THR A 34 0.015 -25.108 -4.288 1.00 0.00 N ATOM 455 CA THR A 34 0.176 -25.062 -2.840 1.00 0.00 C ATOM 456 C THR A 34 0.494 -23.644 -2.372 1.00 0.00 C ATOM 457 O THR A 34 0.048 -23.226 -1.303 1.00 0.00 O ATOM 458 CB THR A 34 1.265 -26.032 -2.378 1.00 0.00 C ATOM 459 OG1 THR A 34 1.004 -27.343 -2.849 1.00 0.00 O ATOM 460 CG2 THR A 34 1.400 -26.103 -0.872 1.00 0.00 C ATOM 0 H THR A 34 0.735 -25.635 -4.782 1.00 0.00 H new ATOM 0 HA THR A 34 -0.769 -25.369 -2.391 1.00 0.00 H new ATOM 0 HB THR A 34 2.195 -25.643 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.713 -27.947 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.189 -26.808 -0.610 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.651 -25.117 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.457 -26.436 -0.437 1.00 0.00 H new ATOM 468 N VAL A 35 1.265 -22.905 -3.162 1.00 0.00 N ATOM 469 CA VAL A 35 1.628 -21.544 -2.796 1.00 0.00 C ATOM 470 C VAL A 35 0.577 -20.541 -3.241 1.00 0.00 C ATOM 471 O VAL A 35 0.377 -20.305 -4.431 1.00 0.00 O ATOM 472 CB VAL A 35 2.970 -21.123 -3.420 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.229 -19.644 -3.178 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.110 -21.964 -2.874 1.00 0.00 C ATOM 0 H VAL A 35 1.647 -23.223 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 35 1.707 -21.542 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 35 2.913 -21.292 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.182 -19.363 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.429 -19.056 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.261 -19.451 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.047 -21.647 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.171 -21.836 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.931 -23.014 -3.105 1.00 0.00 H new ATOM 484 N ARG A 36 -0.068 -19.939 -2.260 1.00 0.00 N ATOM 485 CA ARG A 36 -1.086 -18.929 -2.508 1.00 0.00 C ATOM 486 C ARG A 36 -0.430 -17.635 -2.974 1.00 0.00 C ATOM 487 O ARG A 36 0.665 -17.287 -2.533 1.00 0.00 O ATOM 488 CB ARG A 36 -1.903 -18.678 -1.241 1.00 0.00 C ATOM 489 CG ARG A 36 -2.679 -19.897 -0.768 1.00 0.00 C ATOM 490 CD ARG A 36 -3.751 -20.290 -1.771 1.00 0.00 C ATOM 491 NE ARG A 36 -4.595 -21.375 -1.278 1.00 0.00 N ATOM 492 CZ ARG A 36 -4.205 -22.645 -1.216 1.00 0.00 C ATOM 493 NH1 ARG A 36 -2.988 -22.988 -1.615 1.00 0.00 N ATOM 494 NH2 ARG A 36 -5.035 -23.572 -0.758 1.00 0.00 N ATOM 0 H ARG A 36 0.096 -20.133 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.756 -19.289 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.233 -18.352 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.601 -17.861 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.994 -20.732 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.140 -19.686 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.371 -19.423 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.279 -20.595 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.538 -21.146 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.349 -22.277 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.691 -23.963 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.973 -23.311 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.736 -24.546 -0.711 1.00 0.00 H new ATOM 508 N ARG A 37 -1.105 -16.933 -3.871 1.00 0.00 N ATOM 509 CA ARG A 37 -0.590 -15.682 -4.408 1.00 0.00 C ATOM 510 C ARG A 37 -0.984 -14.506 -3.523 1.00 0.00 C ATOM 511 O ARG A 37 -2.091 -14.464 -2.986 1.00 0.00 O ATOM 512 CB ARG A 37 -1.108 -15.476 -5.831 1.00 0.00 C ATOM 513 CG ARG A 37 -0.428 -14.341 -6.567 1.00 0.00 C ATOM 514 CD ARG A 37 -0.987 -14.175 -7.968 1.00 0.00 C ATOM 515 NE ARG A 37 -0.666 -15.314 -8.825 1.00 0.00 N ATOM 516 CZ ARG A 37 -1.396 -16.426 -8.883 1.00 0.00 C ATOM 517 NH1 ARG A 37 -2.492 -16.547 -8.148 1.00 0.00 N ATOM 518 NH2 ARG A 37 -1.031 -17.418 -9.685 1.00 0.00 N ATOM 0 H ARG A 37 -2.013 -17.209 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 37 0.498 -15.736 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.970 -16.398 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.180 -15.283 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.559 -13.414 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.644 -14.531 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.069 -14.055 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.587 -13.263 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 37 0.165 -15.254 -9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.781 -15.786 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.047 -17.401 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.191 -17.329 -10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.590 -18.270 -9.729 1.00 0.00 H new ATOM 532 N HIS A 38 -0.071 -13.552 -3.372 1.00 0.00 N ATOM 533 CA HIS A 38 -0.326 -12.380 -2.545 1.00 0.00 C ATOM 534 C HIS A 38 0.329 -11.130 -3.130 1.00 0.00 C ATOM 535 O HIS A 38 1.087 -11.207 -4.097 1.00 0.00 O ATOM 536 CB HIS A 38 0.180 -12.609 -1.120 1.00 0.00 C ATOM 537 CG HIS A 38 -0.502 -13.738 -0.410 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.844 -13.723 -0.086 1.00 0.00 N ATOM 539 CD2 HIS A 38 -0.022 -14.922 0.043 1.00 0.00 C ATOM 540 CE1 HIS A 38 -2.158 -14.846 0.535 1.00 0.00 C ATOM 541 NE2 HIS A 38 -1.072 -15.591 0.625 1.00 0.00 N ATOM 0 H HIS A 38 0.850 -13.568 -3.811 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.404 -12.223 -2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.251 -12.807 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.042 -11.694 -0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.996 -15.274 -0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.137 -15.110 0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.020 -16.514 1.057 1.00 0.00 H new ATOM 550 N HIS A 39 0.016 -9.981 -2.542 1.00 0.00 N ATOM 551 CA HIS A 39 0.561 -8.711 -3.012 1.00 0.00 C ATOM 552 C HIS A 39 1.146 -7.891 -1.869 1.00 0.00 C ATOM 553 O HIS A 39 0.650 -7.933 -0.743 1.00 0.00 O ATOM 554 CB HIS A 39 -0.531 -7.898 -3.710 1.00 0.00 C ATOM 555 CG HIS A 39 -1.205 -8.631 -4.827 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.559 -8.991 -5.992 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.480 -9.069 -4.956 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.408 -9.617 -6.788 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.580 -9.677 -6.182 1.00 0.00 N ATOM 0 H HIS A 39 -0.611 -9.902 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 39 1.363 -8.939 -3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.280 -7.606 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.094 -6.980 -4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.271 -8.960 -4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.182 -10.012 -7.767 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.423 -10.106 -6.564 1.00 0.00 H new ATOM 568 N CYS A 40 2.180 -7.113 -2.177 1.00 0.00 N ATOM 569 CA CYS A 40 2.814 -6.239 -1.201 1.00 0.00 C ATOM 570 C CYS A 40 2.131 -4.874 -1.256 1.00 0.00 C ATOM 571 O CYS A 40 1.819 -4.371 -2.336 1.00 0.00 O ATOM 572 CB CYS A 40 4.309 -6.104 -1.513 1.00 0.00 C ATOM 573 SG CYS A 40 5.170 -4.888 -0.494 1.00 0.00 S ATOM 0 H CYS A 40 2.599 -7.072 -3.106 1.00 0.00 H new ATOM 0 HA CYS A 40 2.712 -6.658 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.786 -7.075 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.427 -5.831 -2.562 1.00 0.00 H new ATOM 0 HG CYS A 40 6.204 -4.436 -1.139 1.00 0.00 H new ATOM 579 N ARG A 41 1.860 -4.299 -0.088 1.00 0.00 N ATOM 580 CA ARG A 41 1.166 -3.016 -0.004 1.00 0.00 C ATOM 581 C ARG A 41 2.046 -1.841 -0.427 1.00 0.00 C ATOM 582 O ARG A 41 1.576 -0.706 -0.514 1.00 0.00 O ATOM 583 CB ARG A 41 0.650 -2.800 1.418 1.00 0.00 C ATOM 584 CG ARG A 41 -0.314 -3.881 1.879 1.00 0.00 C ATOM 585 CD ARG A 41 -0.978 -3.512 3.196 1.00 0.00 C ATOM 586 NE ARG A 41 -1.900 -2.391 3.038 1.00 0.00 N ATOM 587 CZ ARG A 41 -2.885 -2.120 3.887 1.00 0.00 C ATOM 588 NH1 ARG A 41 -3.079 -2.885 4.954 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.683 -1.082 3.668 1.00 0.00 N ATOM 0 H ARG A 41 2.111 -4.701 0.815 1.00 0.00 H new ATOM 0 HA ARG A 41 0.330 -3.054 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.497 -2.763 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.153 -1.832 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.077 -4.038 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.222 -4.823 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.517 -4.375 3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.214 -3.255 3.930 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.781 -1.781 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.470 -3.685 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.837 -2.673 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.540 -0.493 2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.439 -0.874 4.320 1.00 0.00 H new ATOM 603 N ASN A 42 3.318 -2.110 -0.692 1.00 0.00 N ATOM 604 CA ASN A 42 4.252 -1.067 -1.106 1.00 0.00 C ATOM 605 C ASN A 42 4.476 -1.085 -2.614 1.00 0.00 C ATOM 606 O ASN A 42 4.028 -0.186 -3.325 1.00 0.00 O ATOM 607 CB ASN A 42 5.587 -1.237 -0.380 1.00 0.00 C ATOM 608 CG ASN A 42 5.486 -0.935 1.097 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.007 0.125 1.490 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.938 -1.867 1.923 1.00 0.00 N ATOM 0 H ASN A 42 3.728 -3.042 -0.628 1.00 0.00 H new ATOM 0 HA ASN A 42 3.815 -0.104 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.943 -2.258 -0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.329 -0.579 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.896 -1.719 2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.328 -2.733 1.551 1.00 0.00 H new ATOM 617 N CYS A 43 5.184 -2.097 -3.097 1.00 0.00 N ATOM 618 CA CYS A 43 5.477 -2.203 -4.521 1.00 0.00 C ATOM 619 C CYS A 43 4.255 -2.657 -5.314 1.00 0.00 C ATOM 620 O CYS A 43 4.134 -2.371 -6.504 1.00 0.00 O ATOM 621 CB CYS A 43 6.644 -3.164 -4.757 1.00 0.00 C ATOM 622 SG CYS A 43 6.333 -4.860 -4.219 1.00 0.00 S ATOM 0 H CYS A 43 5.565 -2.853 -2.528 1.00 0.00 H new ATOM 0 HA CYS A 43 5.755 -1.210 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.884 -3.171 -5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.522 -2.785 -4.235 1.00 0.00 H new ATOM 0 HG CYS A 43 6.774 -5.018 -3.006 1.00 0.00 H new ATOM 628 N GLY A 44 3.343 -3.350 -4.641 1.00 0.00 N ATOM 629 CA GLY A 44 2.134 -3.814 -5.299 1.00 0.00 C ATOM 630 C GLY A 44 2.389 -4.974 -6.238 1.00 0.00 C ATOM 631 O GLY A 44 1.588 -5.249 -7.131 1.00 0.00 O ATOM 0 H GLY A 44 3.418 -3.599 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.407 -4.115 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.690 -2.990 -5.858 1.00 0.00 H new ATOM 635 N TYR A 45 3.503 -5.661 -6.033 1.00 0.00 N ATOM 636 CA TYR A 45 3.859 -6.803 -6.861 1.00 0.00 C ATOM 637 C TYR A 45 3.460 -8.101 -6.179 1.00 0.00 C ATOM 638 O TYR A 45 3.220 -8.132 -4.973 1.00 0.00 O ATOM 639 CB TYR A 45 5.355 -6.811 -7.171 1.00 0.00 C ATOM 640 CG TYR A 45 5.840 -5.551 -7.851 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.112 -4.976 -8.886 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.023 -4.938 -7.461 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.551 -3.825 -9.512 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.468 -3.786 -8.082 1.00 0.00 C ATOM 645 CZ TYR A 45 6.729 -3.233 -9.106 1.00 0.00 C ATOM 646 OH TYR A 45 7.169 -2.087 -9.726 1.00 0.00 O ATOM 0 H TYR A 45 4.177 -5.447 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 45 3.315 -6.717 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.909 -6.949 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.581 -7.667 -7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.189 -5.436 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.605 -5.368 -6.659 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.974 -3.391 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.390 -3.321 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 45 8.013 -1.799 -9.320 1.00 0.00 H new ATOM 656 N VAL A 46 3.376 -9.167 -6.960 1.00 0.00 N ATOM 657 CA VAL A 46 2.990 -10.461 -6.421 1.00 0.00 C ATOM 658 C VAL A 46 4.146 -11.107 -5.663 1.00 0.00 C ATOM 659 O VAL A 46 5.254 -11.233 -6.183 1.00 0.00 O ATOM 660 CB VAL A 46 2.502 -11.417 -7.526 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.204 -12.788 -6.944 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.274 -10.845 -8.222 1.00 0.00 C ATOM 0 H VAL A 46 3.568 -9.162 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 46 2.166 -10.281 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 46 3.293 -11.525 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.860 -13.453 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.109 -13.197 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.429 -12.699 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.943 -11.533 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.474 -10.708 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.525 -9.884 -8.671 1.00 0.00 H new ATOM 672 N LEU A 47 3.870 -11.526 -4.432 1.00 0.00 N ATOM 673 CA LEU A 47 4.874 -12.175 -3.593 1.00 0.00 C ATOM 674 C LEU A 47 4.312 -13.448 -2.978 1.00 0.00 C ATOM 675 O LEU A 47 3.158 -13.483 -2.549 1.00 0.00 O ATOM 676 CB LEU A 47 5.326 -11.250 -2.454 1.00 0.00 C ATOM 677 CG LEU A 47 6.184 -10.046 -2.848 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.547 -10.487 -3.349 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.486 -9.196 -3.891 1.00 0.00 C ATOM 0 H LEU A 47 2.956 -11.427 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 47 5.726 -12.410 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.437 -10.882 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.886 -11.846 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 47 6.329 -9.439 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.135 -9.611 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.062 -11.040 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.424 -11.128 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.119 -8.348 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.297 -9.795 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.540 -8.833 -3.490 1.00 0.00 H new ATOM 691 N CYS A 48 5.138 -14.480 -2.901 1.00 0.00 N ATOM 692 CA CYS A 48 4.721 -15.734 -2.295 1.00 0.00 C ATOM 693 C CYS A 48 4.796 -15.594 -0.783 1.00 0.00 C ATOM 694 O CYS A 48 5.158 -14.529 -0.281 1.00 0.00 O ATOM 695 CB CYS A 48 5.602 -16.893 -2.772 1.00 0.00 C ATOM 696 SG CYS A 48 7.240 -16.940 -2.005 1.00 0.00 S ATOM 0 H CYS A 48 6.097 -14.474 -3.249 1.00 0.00 H new ATOM 0 HA CYS A 48 3.697 -15.957 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.090 -17.833 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.721 -16.824 -3.853 1.00 0.00 H new ATOM 0 HG CYS A 48 8.099 -17.434 -2.846 1.00 0.00 H new ATOM 702 N GLY A 49 4.456 -16.643 -0.046 1.00 0.00 N ATOM 703 CA GLY A 49 4.509 -16.552 1.397 1.00 0.00 C ATOM 704 C GLY A 49 5.887 -16.164 1.897 1.00 0.00 C ATOM 705 O GLY A 49 6.032 -15.205 2.654 1.00 0.00 O ATOM 0 H GLY A 49 4.149 -17.543 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.780 -15.818 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.224 -17.511 1.830 1.00 0.00 H new ATOM 709 N ASP A 50 6.894 -16.921 1.471 1.00 0.00 N ATOM 710 CA ASP A 50 8.278 -16.680 1.876 1.00 0.00 C ATOM 711 C ASP A 50 8.748 -15.261 1.576 1.00 0.00 C ATOM 712 O ASP A 50 9.519 -14.678 2.339 1.00 0.00 O ATOM 713 CB ASP A 50 9.213 -17.681 1.202 1.00 0.00 C ATOM 714 CG ASP A 50 9.087 -19.076 1.781 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.392 -19.234 2.806 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.688 -20.011 1.210 1.00 0.00 O ATOM 0 H ASP A 50 6.777 -17.714 0.840 1.00 0.00 H new ATOM 0 HA ASP A 50 8.309 -16.810 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.996 -17.714 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.243 -17.339 1.308 1.00 0.00 H new ATOM 721 N CYS A 51 8.282 -14.713 0.462 1.00 0.00 N ATOM 722 CA CYS A 51 8.661 -13.363 0.062 1.00 0.00 C ATOM 723 C CYS A 51 7.716 -12.323 0.651 1.00 0.00 C ATOM 724 O CYS A 51 7.910 -11.122 0.467 1.00 0.00 O ATOM 725 CB CYS A 51 8.692 -13.245 -1.462 1.00 0.00 C ATOM 726 SG CYS A 51 10.304 -13.624 -2.186 1.00 0.00 S ATOM 0 H CYS A 51 7.642 -15.181 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 51 9.660 -13.170 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.946 -13.918 -1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.405 -12.232 -1.745 1.00 0.00 H new ATOM 0 HG CYS A 51 10.289 -14.830 -2.671 1.00 0.00 H new ATOM 732 N SER A 52 6.704 -12.791 1.373 1.00 0.00 N ATOM 733 CA SER A 52 5.736 -11.908 2.010 1.00 0.00 C ATOM 734 C SER A 52 5.541 -12.322 3.464 1.00 0.00 C ATOM 735 O SER A 52 4.493 -12.069 4.057 1.00 0.00 O ATOM 736 CB SER A 52 4.398 -11.953 1.265 1.00 0.00 C ATOM 737 OG SER A 52 3.809 -13.239 1.350 1.00 0.00 O ATOM 0 H SER A 52 6.533 -13.784 1.532 1.00 0.00 H new ATOM 0 HA SER A 52 6.115 -10.887 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.719 -11.211 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.552 -11.689 0.219 1.00 0.00 H new ATOM 0 HG SER A 52 4.447 -13.912 1.033 1.00 0.00 H new ATOM 743 N ARG A 53 6.566 -12.949 4.038 1.00 0.00 N ATOM 744 CA ARG A 53 6.512 -13.383 5.428 1.00 0.00 C ATOM 745 C ARG A 53 6.814 -12.222 6.371 1.00 0.00 C ATOM 746 O ARG A 53 6.502 -12.288 7.559 1.00 0.00 O ATOM 747 CB ARG A 53 7.490 -14.538 5.694 1.00 0.00 C ATOM 748 CG ARG A 53 7.042 -15.879 5.133 1.00 0.00 C ATOM 749 CD ARG A 53 7.914 -17.014 5.649 1.00 0.00 C ATOM 750 NE ARG A 53 7.594 -18.286 5.008 1.00 0.00 N ATOM 751 CZ ARG A 53 7.960 -19.469 5.494 1.00 0.00 C ATOM 752 NH1 ARG A 53 8.649 -19.543 6.625 1.00 0.00 N ATOM 753 NH2 ARG A 53 7.634 -20.580 4.848 1.00 0.00 N ATOM 0 H ARG A 53 7.441 -13.166 3.561 1.00 0.00 H new ATOM 0 HA ARG A 53 5.500 -13.740 5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.459 -14.284 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.633 -14.637 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.003 -16.062 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.083 -15.852 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.963 -16.774 5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.785 -17.109 6.727 1.00 0.00 H new ATOM 0 HE ARG A 53 7.060 -18.267 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.900 -18.691 7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.928 -20.452 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.103 -20.527 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.914 -21.487 5.220 1.00 0.00 H new ATOM 767 N HIS A 54 7.426 -11.161 5.847 1.00 0.00 N ATOM 768 CA HIS A 54 7.763 -10.006 6.671 1.00 0.00 C ATOM 769 C HIS A 54 6.554 -9.109 6.885 1.00 0.00 C ATOM 770 O HIS A 54 5.566 -9.187 6.153 1.00 0.00 O ATOM 771 CB HIS A 54 8.878 -9.183 6.025 1.00 0.00 C ATOM 772 CG HIS A 54 10.193 -9.887 5.947 1.00 0.00 C ATOM 773 ND1 HIS A 54 11.060 -9.984 7.015 1.00 0.00 N ATOM 774 CD2 HIS A 54 10.799 -10.523 4.916 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.142 -10.644 6.644 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.008 -10.983 5.375 1.00 0.00 N ATOM 0 H HIS A 54 7.695 -11.079 4.867 1.00 0.00 H new ATOM 0 HA HIS A 54 8.101 -10.388 7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.569 -8.901 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.006 -8.259 6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.404 -10.645 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.992 -10.868 7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.692 -11.503 4.825 1.00 0.00 H new ATOM 785 N ARG A 55 6.652 -8.245 7.884 1.00 0.00 N ATOM 786 CA ARG A 55 5.581 -7.310 8.192 1.00 0.00 C ATOM 787 C ARG A 55 6.159 -5.946 8.557 1.00 0.00 C ATOM 788 O ARG A 55 7.127 -5.853 9.311 1.00 0.00 O ATOM 789 CB ARG A 55 4.705 -7.848 9.322 1.00 0.00 C ATOM 790 CG ARG A 55 4.095 -9.204 9.008 1.00 0.00 C ATOM 791 CD ARG A 55 3.051 -9.598 10.038 1.00 0.00 C ATOM 792 NE ARG A 55 1.851 -8.776 9.929 1.00 0.00 N ATOM 793 CZ ARG A 55 1.006 -8.845 8.907 1.00 0.00 C ATOM 794 NH1 ARG A 55 1.225 -9.705 7.922 1.00 0.00 N ATOM 795 NH2 ARG A 55 -0.057 -8.054 8.868 1.00 0.00 N ATOM 0 H ARG A 55 7.464 -8.172 8.496 1.00 0.00 H new ATOM 0 HA ARG A 55 4.956 -7.194 7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.302 -7.926 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.906 -7.135 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.639 -9.178 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.881 -9.959 8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.787 -10.647 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.471 -9.498 11.039 1.00 0.00 H new ATOM 0 HE ARG A 55 1.650 -8.113 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.043 -10.314 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.576 -9.758 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.227 -7.391 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.705 -8.109 8.082 1.00 0.00 H new ATOM 809 N ALA A 56 5.565 -4.897 8.016 1.00 0.00 N ATOM 810 CA ALA A 56 6.034 -3.544 8.288 1.00 0.00 C ATOM 811 C ALA A 56 4.950 -2.510 8.038 1.00 0.00 C ATOM 812 O ALA A 56 4.062 -2.716 7.211 1.00 0.00 O ATOM 813 CB ALA A 56 7.255 -3.235 7.438 1.00 0.00 C ATOM 0 H ALA A 56 4.762 -4.952 7.389 1.00 0.00 H new ATOM 0 HA ALA A 56 6.303 -3.493 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.598 -2.222 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.050 -3.943 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.994 -3.318 6.383 1.00 0.00 H new ATOM 819 N ALA A 57 5.042 -1.380 8.732 1.00 0.00 N ATOM 820 CA ALA A 57 4.085 -0.297 8.557 1.00 0.00 C ATOM 821 C ALA A 57 4.575 0.622 7.450 1.00 0.00 C ATOM 822 O ALA A 57 5.780 0.755 7.236 1.00 0.00 O ATOM 823 CB ALA A 57 3.905 0.471 9.859 1.00 0.00 C ATOM 0 H ALA A 57 5.770 -1.192 9.421 1.00 0.00 H new ATOM 0 HA ALA A 57 3.115 -0.708 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.186 1.277 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.538 -0.204 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.862 0.891 10.169 1.00 0.00 H new ATOM 829 N ILE A 58 3.651 1.246 6.733 1.00 0.00 N ATOM 830 CA ILE A 58 4.013 2.134 5.641 1.00 0.00 C ATOM 831 C ILE A 58 3.372 3.507 5.822 1.00 0.00 C ATOM 832 O ILE A 58 2.315 3.792 5.261 1.00 0.00 O ATOM 833 CB ILE A 58 3.579 1.529 4.297 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.711 0.003 4.342 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.414 2.105 3.169 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.125 -0.699 3.137 1.00 0.00 C ATOM 0 H ILE A 58 2.647 1.153 6.889 1.00 0.00 H new ATOM 0 HA ILE A 58 5.096 2.254 5.646 1.00 0.00 H new ATOM 0 HB ILE A 58 2.535 1.782 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.766 -0.258 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.219 -0.368 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.097 1.668 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.280 3.186 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.466 1.875 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.257 -1.776 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.062 -0.470 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.633 -0.358 2.235 1.00 0.00 H new ATOM 848 N PRO A 59 4.002 4.364 6.640 1.00 0.00 N ATOM 849 CA PRO A 59 3.494 5.708 6.937 1.00 0.00 C ATOM 850 C PRO A 59 3.511 6.656 5.743 1.00 0.00 C ATOM 851 O PRO A 59 2.905 7.727 5.794 1.00 0.00 O ATOM 852 CB PRO A 59 4.419 6.209 8.044 1.00 0.00 C ATOM 853 CG PRO A 59 5.674 5.424 7.875 1.00 0.00 C ATOM 854 CD PRO A 59 5.253 4.076 7.359 1.00 0.00 C ATOM 0 HA PRO A 59 2.442 5.671 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.606 7.279 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.981 6.048 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.351 5.916 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.206 5.331 8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.006 3.645 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.096 3.366 8.171 1.00 0.00 H new ATOM 862 N MET A 60 4.164 6.264 4.656 1.00 0.00 N ATOM 863 CA MET A 60 4.188 7.101 3.463 1.00 0.00 C ATOM 864 C MET A 60 2.964 6.791 2.614 1.00 0.00 C ATOM 865 O MET A 60 2.360 7.677 2.011 1.00 0.00 O ATOM 866 CB MET A 60 5.464 6.848 2.656 1.00 0.00 C ATOM 867 CG MET A 60 6.733 7.307 3.359 1.00 0.00 C ATOM 868 SD MET A 60 8.202 7.123 2.329 1.00 0.00 S ATOM 869 CE MET A 60 9.469 7.753 3.430 1.00 0.00 C ATOM 0 H MET A 60 4.677 5.386 4.575 1.00 0.00 H new ATOM 0 HA MET A 60 4.174 8.150 3.759 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.543 5.782 2.442 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.385 7.360 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.626 8.352 3.649 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.863 6.734 4.277 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.439 7.705 2.934 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.245 8.788 3.688 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.495 7.150 4.338 1.00 0.00 H new ATOM 879 N ARG A 61 2.612 5.513 2.584 1.00 0.00 N ATOM 880 CA ARG A 61 1.462 5.042 1.825 1.00 0.00 C ATOM 881 C ARG A 61 0.176 5.231 2.624 1.00 0.00 C ATOM 882 O ARG A 61 -0.913 4.879 2.171 1.00 0.00 O ATOM 883 CB ARG A 61 1.647 3.566 1.477 1.00 0.00 C ATOM 884 CG ARG A 61 2.976 3.274 0.800 1.00 0.00 C ATOM 885 CD ARG A 61 3.102 4.002 -0.526 1.00 0.00 C ATOM 886 NE ARG A 61 2.194 3.467 -1.533 1.00 0.00 N ATOM 887 CZ ARG A 61 1.877 4.112 -2.649 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.386 5.312 -2.890 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.047 3.559 -3.522 1.00 0.00 N ATOM 0 H ARG A 61 3.113 4.777 3.082 1.00 0.00 H new ATOM 0 HA ARG A 61 1.386 5.625 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.572 2.972 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.835 3.249 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.793 3.572 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.073 2.201 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.895 5.062 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.128 3.925 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 61 1.780 2.549 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.022 5.741 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.142 5.807 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.651 2.637 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.804 4.055 -4.379 1.00 0.00 H new ATOM 903 N GLY A 62 0.321 5.791 3.819 1.00 0.00 N ATOM 904 CA GLY A 62 -0.824 6.025 4.675 1.00 0.00 C ATOM 905 C GLY A 62 -1.057 4.887 5.646 1.00 0.00 C ATOM 906 O GLY A 62 -2.062 4.862 6.355 1.00 0.00 O ATOM 0 H GLY A 62 1.215 6.088 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.676 6.950 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.713 6.162 4.060 1.00 0.00 H new ATOM 910 N ILE A 63 -0.124 3.940 5.680 1.00 0.00 N ATOM 911 CA ILE A 63 -0.223 2.794 6.572 1.00 0.00 C ATOM 912 C ILE A 63 0.588 3.044 7.842 1.00 0.00 C ATOM 913 O ILE A 63 1.811 2.910 7.848 1.00 0.00 O ATOM 914 CB ILE A 63 0.291 1.522 5.862 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.506 1.283 4.575 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.209 0.309 6.776 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.075 0.202 3.691 1.00 0.00 C ATOM 0 H ILE A 63 0.712 3.946 5.096 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.269 2.651 6.843 1.00 0.00 H new ATOM 0 HB ILE A 63 1.340 1.672 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.530 1.015 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.555 2.214 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.578 -0.570 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.818 0.481 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.827 0.146 7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.543 0.090 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.088 0.477 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.099 -0.741 4.237 1.00 0.00 H new ATOM 929 N THR A 64 -0.102 3.423 8.916 1.00 0.00 N ATOM 930 CA THR A 64 0.560 3.710 10.187 1.00 0.00 C ATOM 931 C THR A 64 0.741 2.451 11.026 1.00 0.00 C ATOM 932 O THR A 64 1.555 2.424 11.951 1.00 0.00 O ATOM 933 CB THR A 64 -0.226 4.759 10.969 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.540 4.305 11.247 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.335 6.082 10.240 1.00 0.00 C ATOM 0 H THR A 64 -1.115 3.538 8.932 1.00 0.00 H new ATOM 0 HA THR A 64 1.552 4.102 9.961 1.00 0.00 H new ATOM 0 HB THR A 64 0.334 4.914 11.891 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.024 4.993 11.750 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.905 6.786 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.663 6.482 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.842 5.932 9.287 1.00 0.00 H new ATOM 943 N GLU A 65 -0.002 1.403 10.695 1.00 0.00 N ATOM 944 CA GLU A 65 0.101 0.142 11.412 1.00 0.00 C ATOM 945 C GLU A 65 0.903 -0.847 10.582 1.00 0.00 C ATOM 946 O GLU A 65 0.816 -0.840 9.356 1.00 0.00 O ATOM 947 CB GLU A 65 -1.290 -0.419 11.710 1.00 0.00 C ATOM 948 CG GLU A 65 -2.238 0.605 12.315 1.00 0.00 C ATOM 949 CD GLU A 65 -2.894 0.112 13.590 1.00 0.00 C ATOM 950 OE1 GLU A 65 -2.180 -0.449 14.447 1.00 0.00 O ATOM 951 OE2 GLU A 65 -4.123 0.287 13.731 1.00 0.00 O ATOM 0 H GLU A 65 -0.682 1.403 9.935 1.00 0.00 H new ATOM 0 HA GLU A 65 0.610 0.311 12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.724 -0.804 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.194 -1.263 12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.689 1.523 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.010 0.855 11.587 1.00 0.00 H new ATOM 958 N PRO A 66 1.711 -1.699 11.225 1.00 0.00 N ATOM 959 CA PRO A 66 2.530 -2.671 10.504 1.00 0.00 C ATOM 960 C PRO A 66 1.681 -3.578 9.621 1.00 0.00 C ATOM 961 O PRO A 66 0.759 -4.240 10.096 1.00 0.00 O ATOM 962 CB PRO A 66 3.220 -3.466 11.615 1.00 0.00 C ATOM 963 CG PRO A 66 3.161 -2.584 12.817 1.00 0.00 C ATOM 964 CD PRO A 66 1.902 -1.773 12.681 1.00 0.00 C ATOM 0 HA PRO A 66 3.237 -2.194 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.712 -4.413 11.796 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.250 -3.702 11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.146 -3.175 13.733 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.037 -1.937 12.869 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.057 -2.253 13.175 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.010 -0.783 13.125 1.00 0.00 H new ATOM 972 N GLU A 67 1.997 -3.592 8.330 1.00 0.00 N ATOM 973 CA GLU A 67 1.270 -4.401 7.360 1.00 0.00 C ATOM 974 C GLU A 67 2.223 -5.308 6.586 1.00 0.00 C ATOM 975 O GLU A 67 3.441 -5.142 6.648 1.00 0.00 O ATOM 976 CB GLU A 67 0.504 -3.496 6.390 1.00 0.00 C ATOM 977 CG GLU A 67 -0.527 -2.610 7.070 1.00 0.00 C ATOM 978 CD GLU A 67 -1.583 -3.406 7.810 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.701 -4.622 7.549 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.291 -2.815 8.652 1.00 0.00 O ATOM 0 H GLU A 67 2.760 -3.046 7.929 1.00 0.00 H new ATOM 0 HA GLU A 67 0.561 -5.029 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.215 -2.867 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.004 -4.116 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.023 -1.944 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.009 -1.981 6.322 1.00 0.00 H new ATOM 987 N ARG A 68 1.660 -6.273 5.868 1.00 0.00 N ATOM 988 CA ARG A 68 2.453 -7.219 5.090 1.00 0.00 C ATOM 989 C ARG A 68 3.093 -6.560 3.872 1.00 0.00 C ATOM 990 O ARG A 68 2.466 -5.776 3.160 1.00 0.00 O ATOM 991 CB ARG A 68 1.584 -8.398 4.659 1.00 0.00 C ATOM 992 CG ARG A 68 0.448 -8.012 3.725 1.00 0.00 C ATOM 993 CD ARG A 68 -0.524 -9.163 3.526 1.00 0.00 C ATOM 994 NE ARG A 68 -1.533 -8.857 2.516 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.532 -8.002 2.710 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.660 -7.380 3.875 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.404 -7.771 1.740 1.00 0.00 N ATOM 0 H ARG A 68 0.653 -6.422 5.808 1.00 0.00 H new ATOM 0 HA ARG A 68 3.261 -7.578 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.212 -9.139 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.167 -8.874 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.083 -7.152 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.855 -7.708 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.027 -10.056 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.015 -9.391 4.472 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.468 -9.325 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.991 -7.558 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.427 -6.724 4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.309 -8.249 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.171 -7.115 1.889 1.00 0.00 H new ATOM 1011 N VAL A 69 4.355 -6.913 3.651 1.00 0.00 N ATOM 1012 CA VAL A 69 5.136 -6.406 2.528 1.00 0.00 C ATOM 1013 C VAL A 69 6.110 -7.471 2.046 1.00 0.00 C ATOM 1014 O VAL A 69 6.176 -8.562 2.612 1.00 0.00 O ATOM 1015 CB VAL A 69 5.937 -5.151 2.910 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.996 -4.012 3.272 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.902 -5.461 4.048 1.00 0.00 C ATOM 0 H VAL A 69 4.867 -7.562 4.249 1.00 0.00 H new ATOM 0 HA VAL A 69 4.431 -6.146 1.738 1.00 0.00 H new ATOM 0 HB VAL A 69 6.528 -4.835 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.578 -3.130 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.359 -3.781 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.375 -4.308 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.461 -4.562 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.341 -5.802 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.595 -6.242 3.735 1.00 0.00 H new ATOM 1027 N CYS A 70 6.885 -7.146 1.020 1.00 0.00 N ATOM 1028 CA CYS A 70 7.877 -8.066 0.494 1.00 0.00 C ATOM 1029 C CYS A 70 9.224 -7.770 1.144 1.00 0.00 C ATOM 1030 O CYS A 70 9.276 -7.150 2.205 1.00 0.00 O ATOM 1031 CB CYS A 70 7.969 -7.961 -1.030 1.00 0.00 C ATOM 1032 SG CYS A 70 9.074 -6.668 -1.630 1.00 0.00 S ATOM 0 H CYS A 70 6.843 -6.249 0.536 1.00 0.00 H new ATOM 0 HA CYS A 70 7.580 -9.088 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.304 -8.919 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.971 -7.781 -1.429 1.00 0.00 H new ATOM 0 HG CYS A 70 8.429 -5.541 -1.695 1.00 0.00 H new ATOM 1038 N ASP A 71 10.305 -8.218 0.528 1.00 0.00 N ATOM 1039 CA ASP A 71 11.633 -7.988 1.093 1.00 0.00 C ATOM 1040 C ASP A 71 12.210 -6.624 0.699 1.00 0.00 C ATOM 1041 O ASP A 71 12.787 -5.932 1.537 1.00 0.00 O ATOM 1042 CB ASP A 71 12.593 -9.108 0.690 1.00 0.00 C ATOM 1043 CG ASP A 71 13.935 -8.995 1.385 1.00 0.00 C ATOM 1044 OD1 ASP A 71 14.064 -9.509 2.516 1.00 0.00 O ATOM 1045 OD2 ASP A 71 14.858 -8.391 0.799 1.00 0.00 O ATOM 0 H ASP A 71 10.296 -8.736 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 71 11.519 -7.988 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.143 -10.072 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.743 -9.084 -0.389 1.00 0.00 H new ATOM 1050 N ALA A 72 12.066 -6.241 -0.564 1.00 0.00 N ATOM 1051 CA ALA A 72 12.597 -4.957 -1.026 1.00 0.00 C ATOM 1052 C ALA A 72 11.867 -3.778 -0.387 1.00 0.00 C ATOM 1053 O ALA A 72 12.493 -2.818 0.062 1.00 0.00 O ATOM 1054 CB ALA A 72 12.521 -4.870 -2.541 1.00 0.00 C ATOM 0 H ALA A 72 11.593 -6.791 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 72 13.641 -4.901 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.919 -3.910 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.107 -5.677 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.482 -4.961 -2.859 1.00 0.00 H new ATOM 1060 N CYS A 73 10.543 -3.855 -0.345 1.00 0.00 N ATOM 1061 CA CYS A 73 9.731 -2.797 0.246 1.00 0.00 C ATOM 1062 C CYS A 73 10.023 -2.670 1.734 1.00 0.00 C ATOM 1063 O CYS A 73 10.130 -1.563 2.261 1.00 0.00 O ATOM 1064 CB CYS A 73 8.248 -3.089 0.019 1.00 0.00 C ATOM 1065 SG CYS A 73 7.844 -3.465 -1.700 1.00 0.00 S ATOM 0 H CYS A 73 10.007 -4.641 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 73 9.983 -1.852 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.951 -3.930 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.663 -2.228 0.342 1.00 0.00 H new ATOM 0 HG CYS A 73 8.739 -2.938 -2.481 1.00 0.00 H new ATOM 1071 N TYR A 74 10.174 -3.802 2.403 1.00 0.00 N ATOM 1072 CA TYR A 74 10.480 -3.803 3.825 1.00 0.00 C ATOM 1073 C TYR A 74 11.774 -3.033 4.071 1.00 0.00 C ATOM 1074 O TYR A 74 11.889 -2.276 5.032 1.00 0.00 O ATOM 1075 CB TYR A 74 10.604 -5.241 4.334 1.00 0.00 C ATOM 1076 CG TYR A 74 10.829 -5.355 5.826 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.764 -5.299 6.717 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.108 -5.531 6.342 1.00 0.00 C ATOM 1079 CE1 TYR A 74 9.968 -5.412 8.079 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.317 -5.648 7.703 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.243 -5.586 8.566 1.00 0.00 C ATOM 1082 OH TYR A 74 11.447 -5.704 9.921 1.00 0.00 O ATOM 0 H TYR A 74 10.090 -4.729 1.986 1.00 0.00 H new ATOM 0 HA TYR A 74 9.672 -3.315 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.697 -5.786 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.430 -5.728 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.761 -5.165 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.951 -5.577 5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.130 -5.364 8.759 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.316 -5.787 8.089 1.00 0.00 H new ATOM 0 HH TYR A 74 11.975 -6.509 10.103 1.00 0.00 H new ATOM 1092 N LEU A 75 12.743 -3.236 3.181 1.00 0.00 N ATOM 1093 CA LEU A 75 14.040 -2.568 3.275 1.00 0.00 C ATOM 1094 C LEU A 75 13.949 -1.071 2.986 1.00 0.00 C ATOM 1095 O LEU A 75 14.460 -0.253 3.751 1.00 0.00 O ATOM 1096 CB LEU A 75 15.027 -3.210 2.302 1.00 0.00 C ATOM 1097 CG LEU A 75 15.821 -4.388 2.865 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.323 -5.277 1.739 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.982 -3.892 3.713 1.00 0.00 C ATOM 0 H LEU A 75 12.653 -3.862 2.381 1.00 0.00 H new ATOM 0 HA LEU A 75 14.387 -2.687 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.478 -3.549 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.729 -2.447 1.965 1.00 0.00 H new ATOM 0 HG LEU A 75 15.160 -4.978 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.886 -6.111 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.475 -5.660 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.969 -4.698 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.536 -4.745 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.644 -3.280 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.599 -3.296 4.541 1.00 0.00 H new ATOM 1111 N ALA A 76 13.318 -0.715 1.872 1.00 0.00 N ATOM 1112 CA ALA A 76 13.198 0.691 1.487 1.00 0.00 C ATOM 1113 C ALA A 76 12.502 1.507 2.571 1.00 0.00 C ATOM 1114 O ALA A 76 12.929 2.618 2.890 1.00 0.00 O ATOM 1115 CB ALA A 76 12.462 0.818 0.161 1.00 0.00 C ATOM 0 H ALA A 76 12.885 -1.372 1.223 1.00 0.00 H new ATOM 0 HA ALA A 76 14.204 1.093 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.381 1.870 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.013 0.284 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.464 0.390 0.256 1.00 0.00 H new ATOM 1121 N LEU A 77 11.443 0.952 3.144 1.00 0.00 N ATOM 1122 CA LEU A 77 10.706 1.635 4.203 1.00 0.00 C ATOM 1123 C LEU A 77 11.563 1.775 5.456 1.00 0.00 C ATOM 1124 O LEU A 77 11.488 2.779 6.162 1.00 0.00 O ATOM 1125 CB LEU A 77 9.427 0.876 4.536 1.00 0.00 C ATOM 1126 CG LEU A 77 8.346 0.917 3.456 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.199 -0.005 3.826 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.841 2.339 3.255 1.00 0.00 C ATOM 0 H LEU A 77 11.074 0.034 2.896 1.00 0.00 H new ATOM 0 HA LEU A 77 10.446 2.631 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.682 -0.165 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.012 1.282 5.458 1.00 0.00 H new ATOM 0 HG LEU A 77 8.782 0.573 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.436 0.034 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.569 -1.026 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.767 0.314 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.072 2.346 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.420 2.711 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.669 2.979 2.950 1.00 0.00 H new ATOM 1140 N ARG A 78 12.377 0.765 5.723 1.00 0.00 N ATOM 1141 CA ARG A 78 13.253 0.776 6.889 1.00 0.00 C ATOM 1142 C ARG A 78 14.355 1.827 6.768 1.00 0.00 C ATOM 1143 O ARG A 78 15.124 2.041 7.705 1.00 0.00 O ATOM 1144 CB ARG A 78 13.882 -0.601 7.095 1.00 0.00 C ATOM 1145 CG ARG A 78 12.940 -1.613 7.722 1.00 0.00 C ATOM 1146 CD ARG A 78 13.658 -2.914 8.028 1.00 0.00 C ATOM 1147 NE ARG A 78 13.159 -3.543 9.247 1.00 0.00 N ATOM 1148 CZ ARG A 78 13.917 -4.265 10.069 1.00 0.00 C ATOM 1149 NH1 ARG A 78 15.198 -4.469 9.792 1.00 0.00 N ATOM 1150 NH2 ARG A 78 13.391 -4.791 11.166 1.00 0.00 N ATOM 0 H ARG A 78 12.451 -0.075 5.148 1.00 0.00 H new ATOM 0 HA ARG A 78 12.636 1.032 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.223 -0.983 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.764 -0.497 7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.519 -1.202 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.106 -1.805 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.536 -3.601 7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.726 -2.723 8.130 1.00 0.00 H new ATOM 0 HE ARG A 78 12.174 -3.422 9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.606 -4.072 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.775 -5.023 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.405 -4.643 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.972 -5.344 11.796 1.00 0.00 H new ATOM 1164 N SER A 79 14.425 2.482 5.615 1.00 0.00 N ATOM 1165 CA SER A 79 15.435 3.508 5.392 1.00 0.00 C ATOM 1166 C SER A 79 15.318 4.613 6.438 1.00 0.00 C ATOM 1167 O SER A 79 16.267 5.360 6.677 1.00 0.00 O ATOM 1168 CB SER A 79 15.292 4.098 3.988 1.00 0.00 C ATOM 1169 OG SER A 79 14.105 4.863 3.875 1.00 0.00 O ATOM 0 H SER A 79 13.799 2.322 4.826 1.00 0.00 H new ATOM 0 HA SER A 79 16.418 3.046 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.155 4.725 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.282 3.294 3.252 1.00 0.00 H new ATOM 0 HG SER A 79 13.389 4.303 3.508 1.00 0.00 H new ATOM 1175 N SER A 80 14.146 4.708 7.060 1.00 0.00 N ATOM 1176 CA SER A 80 13.901 5.718 8.083 1.00 0.00 C ATOM 1177 C SER A 80 13.734 5.068 9.453 1.00 0.00 C ATOM 1178 O SER A 80 13.286 3.926 9.559 1.00 0.00 O ATOM 1179 CB SER A 80 12.651 6.530 7.739 1.00 0.00 C ATOM 1180 OG SER A 80 12.773 7.138 6.465 1.00 0.00 O ATOM 0 H SER A 80 13.351 4.097 6.873 1.00 0.00 H new ATOM 0 HA SER A 80 14.762 6.385 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.776 5.880 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.491 7.296 8.497 1.00 0.00 H new ATOM 0 HG SER A 80 11.961 7.650 6.268 1.00 0.00 H new ATOM 1186 N ASN A 81 14.100 5.800 10.498 1.00 0.00 N ATOM 1187 CA ASN A 81 13.993 5.293 11.861 1.00 0.00 C ATOM 1188 C ASN A 81 12.536 5.029 12.227 1.00 0.00 C ATOM 1189 O ASN A 81 11.627 5.674 11.703 1.00 0.00 O ATOM 1190 CB ASN A 81 14.604 6.293 12.844 1.00 0.00 C ATOM 1191 CG ASN A 81 16.060 6.580 12.541 1.00 0.00 C ATOM 1192 OD1 ASN A 81 16.770 5.739 11.989 1.00 0.00 O ATOM 1193 ND2 ASN A 81 16.514 7.775 12.902 1.00 0.00 N ATOM 0 H ASN A 81 14.474 6.747 10.428 1.00 0.00 H new ATOM 0 HA ASN A 81 14.541 4.352 11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.038 7.224 12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.516 5.902 13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.486 8.026 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.890 8.441 13.357 1.00 0.00 H new ATOM 1200 N MET A 82 12.322 4.073 13.125 1.00 0.00 N ATOM 1201 CA MET A 82 10.977 3.719 13.559 1.00 0.00 C ATOM 1202 C MET A 82 10.502 4.651 14.668 1.00 0.00 C ATOM 1203 O MET A 82 11.286 5.059 15.526 1.00 0.00 O ATOM 1204 CB MET A 82 10.942 2.269 14.045 1.00 0.00 C ATOM 1205 CG MET A 82 11.283 1.257 12.962 1.00 0.00 C ATOM 1206 SD MET A 82 11.136 -0.449 13.529 1.00 0.00 S ATOM 1207 CE MET A 82 11.891 -1.326 12.162 1.00 0.00 C ATOM 0 H MET A 82 13.064 3.530 13.566 1.00 0.00 H new ATOM 0 HA MET A 82 10.306 3.826 12.707 1.00 0.00 H new ATOM 0 HB2 MET A 82 11.643 2.154 14.872 1.00 0.00 H new ATOM 0 HB3 MET A 82 9.949 2.049 14.436 1.00 0.00 H new ATOM 0 HG2 MET A 82 10.623 1.409 12.108 1.00 0.00 H new ATOM 0 HG3 MET A 82 12.301 1.433 12.614 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.876 -2.397 12.364 1.00 0.00 H new ATOM 0 HE2 MET A 82 11.335 -1.121 11.247 1.00 0.00 H new ATOM 0 HE3 MET A 82 12.922 -0.994 12.042 1.00 0.00 H new ATOM 1217 N ALA A 83 9.217 4.986 14.647 1.00 0.00 N ATOM 1218 CA ALA A 83 8.643 5.868 15.655 1.00 0.00 C ATOM 1219 C ALA A 83 8.607 5.189 17.021 1.00 0.00 C ATOM 1220 O ALA A 83 8.317 5.825 18.034 1.00 0.00 O ATOM 1221 CB ALA A 83 7.245 6.302 15.240 1.00 0.00 C ATOM 0 H ALA A 83 8.554 4.660 13.944 1.00 0.00 H new ATOM 0 HA ALA A 83 9.276 6.751 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.827 6.961 16.002 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.296 6.833 14.289 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.609 5.424 15.131 1.00 0.00 H new ATOM 1227 N GLY A 84 8.902 3.892 17.040 1.00 0.00 N ATOM 1228 CA GLY A 84 8.898 3.149 18.285 1.00 0.00 C ATOM 1229 C GLY A 84 8.424 1.720 18.104 1.00 0.00 C ATOM 1230 O GLY A 84 8.822 0.854 18.911 1.00 0.00 O ATOM 1231 OXT GLY A 84 7.656 1.468 17.152 1.00 0.00 O ATOM 0 H GLY A 84 9.144 3.344 16.215 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.904 3.145 18.706 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.254 3.654 19.004 1.00 0.00 H new TER 1235 GLY A 84